In this study, co-precipitation synthesis of natural clay (NC) with Co₃O₄ nanoparticles (NPs) is carried out to elaborate the super NC@Co₃O₄ nanocomposites with admirable salinity confrontation, environmental stability and reusability, to eliminate heavy metal pollution such as toxic Pb(II) and Cd(II) ions. The advantages of using the NC@Co₃O₄ adsorbent are easy synthesis and biocompatibility. In addition, NC@Co₃O₄ can keep an excellent adsorption capacity by taking into account various environmental parameters such as the pH solution, NC@Co₃O₄ dose, adsorption process time and the initial heavy metals concentration. Furthermore, FTIR, XRD, TGA, SEM-EDS, TEM and AFM analyses were performed to confirm NC@Co₃O₄ nanocomposites synthesis and characterisation. The adsorption efficiencies of Pb(II) and Cd(II) ions by NC@Co₃O₄ nanocomposites were demonstrated to be up to 86.89% and 82.06% respectively. Regarding the adsorption from water onto the NC@Co₃O₄ nanocomposites, kinetics data were well fitted with PSO kinetic model, whereas a good agreement was found between the equilibrium adsorption and theoretical Langmuir isotherm model leading to maximum adsorption capacities of 55.24 and 52.91 mg/g, for Pb(II) and Cd(II) respectively. Monte Carlo (MC) simulations confirmed the spontaneous of this adsorption based on the negative values of E_ads. The MC simulations were performed to highlight the interactions occurring between heavy metal ions and the surface of NC@Co₃O₄ nanocomposites, these were well correlated with the experimental results. Overall the study showed that NC@Co₃O₄ nanoadsorbents have strongly versatile applications and are well designed for pollutant removal from wastewater due to their unique adsorptive properties.